1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C118H95F30N7O13S — CID 158435687

IUPAC1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)cc1C(F)(F)F.Cc1nc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c(C(F)(F)F)o1.Cc1ncc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)s1.O=C(NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)NC1CCCC1
InChIInChI=1S/C32H24F9NO3.C29H21F9N2O4.C29H28F6N2O3.C28H22F6N2O3S/c1-20-13-14-22(15-27(20)30(33,34)35)28(43)42-19-29(18-21-7-3-2-4-8-21,23-9-5-11-25(16-23)44-31(36,37)38)24-10-6-12-26(17-24)45-32(39,40)41;1-17-40-23(24(42-17)27(30,31)32)25(41)39-16-26(15-18-7-3-2-4-8-18,19-9-5-11-21(13-19)43-28(33,34)35)20-10-6-12-22(14-20)44-29(36,37)38;30-28(31,32)39-24-14-6-10-21(16-24)27(18-20-8-2-1-3-9-20,19-36-26(38)37-23-12-4-5-13-23)22-11-7-15-25(17-22)40-29(33,34)35;1-18-35-16-24(40-18)25(37)36-17-26(15-19-7-3-2-4-8-19,20-9-5-11-22(13-20)38-27(29,30)31)21-10-6-12-23(14-21)39-28(32,33)34/h2-17H,18-19H2,1H3,(H,42,43);2-14H,15-16H2,1H3,(H,39,41);1-3,6-11,14-17,23H,4-5,12-13,18-19H2,(H2,36,37,38);2-14,16H,15,17H2,1H3,(H,36,37)
InChIKeyHCEQWYOTZPDFKD-UHFFFAOYSA-N
MW2421.10 g/mol
LogP30.99
Rot. Bonds36

About 1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 158435687) has the molecular formula C118H95F30N7O13S and a molecular weight of 2421.10 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID158435687
Molecular FormulaC118H95F30N7O13S
Molecular Weight2421.10 g/mol
Exact Mass2419.62
IUPAC Name1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)cc1C(F)(F)F.Cc1nc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c(C(F)(F)F)o1.Cc1ncc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)s1.O=C(NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)NC1CCCC1
InChIInChI=1S/C32H24F9NO3.C29H21F9N2O4.C29H28F6N2O3.C28H22F6N2O3S/c1-20-13-14-22(15-27(20)30(33,34)35)28(43)42-19-29(18-21-7-3-2-4-8-21,23-9-5-11-25(16-23)44-31(36,37)38)24-10-6-12-26(17-24)45-32(39,40)41;1-17-40-23(24(42-17)27(30,31)32)25(41)39-16-26(15-18-7-3-2-4-8-18,19-9-5-11-21(13-19)43-28(33,34)35)20-10-6-12-22(14-20)44-29(36,37)38;30-28(31,32)39-24-14-6-10-21(16-24)27(18-20-8-2-1-3-9-20,19-36-26(38)37-23-12-4-5-13-23)22-11-7-15-25(17-22)40-29(33,34)35;1-18-35-16-24(40-18)25(37)36-17-26(15-19-7-3-2-4-8-19,20-9-5-11-22(13-20)38-27(29,30)31)21-10-6-12-23(14-21)39-28(32,33)34/h2-17H,18-19H2,1H3,(H,42,43);2-14H,15-16H2,1H3,(H,39,41);1-3,6-11,14-17,23H,4-5,12-13,18-19H2,(H2,36,37,38);2-14,16H,15,17H2,1H3,(H,36,37)
InChIKeyHCEQWYOTZPDFKD-UHFFFAOYSA-N
XLogP30.99
TPSA241.19 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002421.10
LogP ≤ 530.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea
CID 59192651
4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266060
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 89265915
3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 59192902
1-[(3R)-2-oxooxolan-3-yl]-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea
CID 59192897
1-(2-oxooxolan-3-yl)-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea
CID 72539575
4-methylsulfonyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266000
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,2-oxazole-5-carboxamide
CID 59192843
1-cyclopentyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 23582398
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192724
1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 23582339

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 158435687) is 1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1ccc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)cc1C(F)(F)F.Cc1nc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c(C(F)(F)F)o1.Cc1ncc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)s1.O=C(NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HCEQWYOTZPDFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F9NO3.C29H21F9N2O4.C29H28F6N2O3.C28H22F6N2O3S/c1-20-13-14-22(15-27(20)30(33,34)35)28(43)42-19-29(18-21-7-3-2-4-8-21,23-9-5-11-25(16-23)44-31(36,37)38)24-10-6-12-26(17-24)45-32(39,40)41;1-17-40-23(24(42-17)27(30,31)32)25(41)39-16-26(15-18-7-3-2-4-8-18,19-9-5-11-21(13-19)43-28(33,34)35)20-10-6-12-22(14-20)44-29(36,37)38;30-28(31,32)39-24-14-6-10-21(16-24)27(18-20-8-2-1-3-9-20,19-36-26(38)37-23-12-4-5-13-23)22-11-7-15-25(17-22)40-29(33,34)35;1-18-35-16-24(40-18)25(37)36-17-26(15-19-7-3-2-4-8-19,20-9-5-11-22(13-20)38-27(29,30)31)21-10-6-12-23(14-21)39-28(32,33)34/h2-17H,18-19H2,1H3,(H,42,43);2-14H,15-16H2,1H3,(H,39,41);1-3,6-11,14-17,23H,4-5,12-13,18-19H2,(H2,36,37,38);2-14,16H,15,17H2,1H3,(H,36,37).
What are the key properties of 1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 2421.10 g/mol, XLogP of 30.99, 36 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,3-thiazole-5-carboxamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-(trifluoromethyl)benzamide;2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 158435687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).